Tag: Simulations

Efficient implementation and validation of the Hamiltonian adaptive resolution (H-AdResS) simulations method

LM thesis proposal Supervisor: Raffaello Potestio (raffaello.potestio@unitn.it) One of the most challenging issues in molecular simulations is to match the gap in the broad range of length and time scales which characterises soft matter systems. One method which proved capable of reducing this gap is the Hamiltonian adaptive resolution simulation (H-AdResS) scheme [1], which enables …

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Sequence-property relation of lattice polymers studied through the zeroes of the partition function

LM thesis proposal Supervisor: Raffaello Potestio (raffaello.potestio@unitn.it) In spite of their simplicity, lattice models of polymers are capable of providing a substantial qualitative and even quantitative insight in the physics of real polymeric macromolecules. A still open problem is the design of polymers featuring desired characteristics, that is, to define a sequence of monomers with …

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